Synonyms
MFCD28167054;Bis(acetonitrile)palladium(II) p-toluenesulfonate, 98%;114757-66-3;
IUPAC Name
acetonitrile;4-methylbenzenesulfonic acid;palladium;
Molecular Weight
532.922g/mol
Molecular Formula
C18H22N2O6PdS2;
Canonical SMILES
CC#N.CC#N.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.[Pd];
InChI
InChI=1S/2C7H8O3S.2C2H3N.Pd/c2*1-6-2-4-7(5-3-6)11(8,9)10;2*1-2-3;/h2*2-5H,1H3,(H,8,9,10);2*1H3;;
InChI Key
LVPBXJOLQSPWHW-UHFFFAOYSA-N;
Complexity
646
Covalently-Bonded Unit Count
5
Exact Mass
531.995g/mol
H-Bond Acceptor
8
H-Bond Donor
2
Heavy Atom Count
29
Monoisotopic Mass
531.995g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
173A^2
